Re: [ccp4bb] what is isomorphous?

2023-12-20 Thread Bernhard Rupp
The Drenth rule of thumb makes sense. Whether 2 in the macromolecular sense isomorphous structures are isomorphous, is a matter or resolution, and it has to do with the reciprocal space overlap function aka G-function. So up to a certain resolution, 2 data sets may be isomorphous, but at high re

Re: [ccp4bb] what is isomorphous?

2023-12-20 Thread Marius Schmidt
According to Jon, Isomorphous Replacement ALWAYS works, because it is only supposed to be isomorphous. Isomorphous difference maps can ALWAYS be calculated with sensible results, because the unit cells of the reference and the time-resolved data are only supposed to be isomorphous. Something is not

Re: [ccp4bb] what is isomorphous?

2023-12-20 Thread Jon Cooper
My apologies my second paragraph was badly wrong. What Ian Tickle said in 2008 (and to save him writing it all again ;-) is: "In general crystallographic usage 'isomorphous' refers to the similarity of crystal structures, i.e. same arrangement of atoms in the a.u. and the same symmetry. So stric

Re: [ccp4bb] what is isomorphous?

2023-12-20 Thread Jon Cooper
Unless you have a degree in maths, the IUCr's "Little Dictionary of Crystallography" by A. Authier and G. Chapuis (2014) defies comprehension on this matter (it's all to do with set / group theory, I think, and there are many more morphisms covered in about 6 pages: homo, epi, mono, endo, auto).

[ccp4bb] what is isomorphous?

2023-12-20 Thread Hekstra, Doeke Romke
Dear colleagues, Something to muse over during the holidays: Let's say we have three crystal forms of the same protein, for example crystallized with different ligands. Crystal forms A and B have the same crystal packing, except that one unit cell dimension differs by, for example, 3%. Crystal

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